AA01048
1001020-14-9 | 3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AA01048
ChemicalName
3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde
CasNumber
1001020-14-9
MolecularFormula
C5H3F3N2O
MolecularWeight
164.0853
MdlNumber
MFCD07375188
Smiles
O=Cc1c[nH]nc1C(F)(F)F
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AA01048
ChemicalName: 3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde
CasNumber: 1001020-14-9
MolecularFormula: C5H3F3N2O
MolecularWeight: 164.0853
MdlNumber: MFCD07375188
Smiles: O=Cc1c[nH]nc1C(F)(F)F
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AA01048
ChemicalName:
3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde
CasNumber:
1001020-14-9
MolecularFormula:
C5H3F3N2O
MolecularWeight:
164.0853
MdlNumber:
MFCD07375188
Smiles:
O=Cc1c[nH]nc1C(F)(F)F
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AA01049
ChemicalName: (3-Trifluoromethyl-1h-pyrazol-4-yl)methanol
CasNumber: 1001020-13-8
MolecularFormula: C5H5F3N2O
MolecularWeight: 166.10120959999995
MdlNumber: MFCD16620670
Smiles: OCc1c[nH]nc1C(F)(F)F
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AA01049
ChemicalName:
(3-Trifluoromethyl-1h-pyrazol-4-yl)methanol
CasNumber:
1001020-13-8
MolecularFormula:
C5H5F3N2O
MolecularWeight:
166.10120959999995
MdlNumber:
MFCD16620670
Smiles:
OCc1c[nH]nc1C(F)(F)F
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.2
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Smiles: O=C(N1CCc2c(C1)sc(c2C(=O)N)N)OC(C)(C)C
Complexity: __
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Smiles:
O=C(N1CCc2c(C1)sc(c2C(=O)N)N)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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Smiles: COCCOCBr
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Smiles:
COCCOCBr
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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